1-N,1-N,3-N,7-tetramethyloctane-1,3-diamine

C12H28N2 — CID 83160965

IUPAC1-N,1-N,3-N,7-tetramethyloctane-1,3-diamine
SMILESCNC(CCCC(C)C)CCN(C)C
InChIInChI=1S/C12H28N2/c1-11(2)7-6-8-12(13-3)9-10-14(4)5/h11-13H,6-10H2,1-5H3
InChIKeyXKVYIBWQHFPQPQ-UHFFFAOYSA-N
MW200.37 g/mol
LogP2.35
Rot. Bonds8

About 1-N,1-N,3-N,7-tetramethyloctane-1,3-diamine

1-N,1-N,3-N,7-tetramethyloctane-1,3-diamine (PubChem CID 83160965) has the molecular formula C12H28N2 and a molecular weight of 200.37 g/mol. Its IUPAC name is 1-N,1-N,3-N,7-tetramethyloctane-1,3-diamine.

Molecular Properties

Compound Name1-N,1-N,3-N,7-tetramethyloctane-1,3-diamine
PubChem CID83160965
Molecular FormulaC12H28N2
Molecular Weight200.37 g/mol
Exact Mass200.23
IUPAC Name1-N,1-N,3-N,7-tetramethyloctane-1,3-diamine
SMILESCNC(CCCC(C)C)CCN(C)C
InChIInChI=1S/C12H28N2/c1-11(2)7-6-8-12(13-3)9-10-14(4)5/h11-13H,6-10H2,1-5H3
InChIKeyXKVYIBWQHFPQPQ-UHFFFAOYSA-N
XLogP2.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-N,1-N,3-N,7-tetramethyloctane-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N,1-N-bis[2-(dimethylamino)ethyl]-3-N-methylhexane-1,3,6-triamine
CID 140879902
2-hydrazinyl-N,N,6-trimethylheptan-1-amine
CID 105244954
propane;N,N,3-trimethylbutan-1-amine
CID 144828505
N,N,20-trimethylhenicosan-1-amine;hydrochloride
CID 173055097
2-(methylamino)-4-[methyl(3-methylbutyl)amino]butan-1-ol
CID 64827204
1-N,1-N,4-N,4-N-tetramethyl-2-N-[2-(methylamino)ethyl]butane-1,2,4-triamine
CID 130303694
ethane;methanamine;N,N,3-trimethylbutan-1-amine
CID 143170086
3-N-ethyl-1-N,1-N-dimethyloctane-1,3-diamine
CID 115346552
1-methoxy-N,7-dimethyloctan-2-amine
CID 83158137
4-(4-ethylphenyl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine
CID 113291267
N'-[2-(dimethylamino)ethyl]-N'-methyl-N-(4-methylpentyl)ethane-1,2-diamine
CID 63727214
1-N,1-N-diethyl-3-N-methyldodecane-1,3-diamine
CID 79086744

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,3-N,7-tetramethyloctane-1,3-diamine?
The IUPAC name of 1-N,1-N,3-N,7-tetramethyloctane-1,3-diamine (CID 83160965) is 1-N,1-N,3-N,7-tetramethyloctane-1,3-diamine.
What is the SMILES notation for 1-N,1-N,3-N,7-tetramethyloctane-1,3-diamine?
The canonical SMILES for 1-N,1-N,3-N,7-tetramethyloctane-1,3-diamine is CNC(CCCC(C)C)CCN(C)C.
What is the InChIKey of 1-N,1-N,3-N,7-tetramethyloctane-1,3-diamine?
The InChIKey is XKVYIBWQHFPQPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2/c1-11(2)7-6-8-12(13-3)9-10-14(4)5/h11-13H,6-10H2,1-5H3.
What are the key properties of 1-N,1-N,3-N,7-tetramethyloctane-1,3-diamine?
1-N,1-N,3-N,7-tetramethyloctane-1,3-diamine has a molecular weight of 200.37 g/mol, XLogP of 2.35, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,3-N,7-tetramethyloctane-1,3-diamine is sourced from PubChem (CID 83160965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).